N-[(3-fluorooxetan-3-yl)methyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)-1H-indole-2-carboxamide

C21H27FN4O3 — CID 86615807

IUPACN-[(3-fluorooxetan-3-yl)methyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)-1H-indole-2-carboxamide
SMILESCC(C)N1CCN(C(=O)c2ccc3[nH]c(C(=O)NCC4(F)COC4)cc3c2)CC1
InChIInChI=1S/C21H27FN4O3/c1-14(2)25-5-7-26(8-6-25)20(28)15-3-4-17-16(9-15)10-18(24-17)19(27)23-11-21(22)12-29-13-21/h3-4,9-10,14,24H,5-8,11-13H2,1-2H3,(H,23,27)
InChIKeyFZONBBUPSBAGAM-UHFFFAOYSA-N
MW402.47 g/mol
LogP1.80
Rot. Bonds5

About N-[(3-fluorooxetan-3-yl)methyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)-1H-indole-2-carboxamide

N-[(3-fluorooxetan-3-yl)methyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)-1H-indole-2-carboxamide (PubChem CID 86615807) has the molecular formula C21H27FN4O3 and a molecular weight of 402.47 g/mol. Its IUPAC name is N-[(3-fluorooxetan-3-yl)methyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorooxetan-3-yl)methyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)-1H-indole-2-carboxamide
PubChem CID86615807
Molecular FormulaC21H27FN4O3
Molecular Weight402.47 g/mol
Exact Mass402.21
IUPAC NameN-[(3-fluorooxetan-3-yl)methyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)-1H-indole-2-carboxamide
SMILESCC(C)N1CCN(C(=O)c2ccc3[nH]c(C(=O)NCC4(F)COC4)cc3c2)CC1
InChIInChI=1S/C21H27FN4O3/c1-14(2)25-5-7-26(8-6-25)20(28)15-3-4-17-16(9-15)10-18(24-17)19(27)23-11-21(22)12-29-13-21/h3-4,9-10,14,24H,5-8,11-13H2,1-2H3,(H,23,27)
InChIKeyFZONBBUPSBAGAM-UHFFFAOYSA-N
XLogP1.80
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3-fluorooxetan-3-yl)methyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-hydroxypiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68680973
[2-(4-methoxypiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68683427
[2-(3-fluoropiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68681971
(4,4-difluoropiperidin-1-yl)-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-indol-2-yl]methanone
CID 11538675
5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide
CID 129040061
(4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone
CID 69284738
(2,2-difluoro-1,3-benzodioxol-5-yl)-[4-(5-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 170157285
(2R)-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]propanoic acid
CID 124691123
5-fluoro-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-indole-2-carboxamide
CID 46557915
(4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone
CID 69283170
[2-(4,4-difluoropiperidine-1-carbonyl)-1H-indol-5-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 68680808
(2,3-dimethyl-1H-indol-5-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
CID 138041779

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorooxetan-3-yl)methyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)-1H-indole-2-carboxamide?
The IUPAC name of N-[(3-fluorooxetan-3-yl)methyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)-1H-indole-2-carboxamide (CID 86615807) is N-[(3-fluorooxetan-3-yl)methyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(3-fluorooxetan-3-yl)methyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-[(3-fluorooxetan-3-yl)methyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)-1H-indole-2-carboxamide is CC(C)N1CCN(C(=O)c2ccc3[nH]c(C(=O)NCC4(F)COC4)cc3c2)CC1.
What is the InChIKey of N-[(3-fluorooxetan-3-yl)methyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)-1H-indole-2-carboxamide?
The InChIKey is FZONBBUPSBAGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O3/c1-14(2)25-5-7-26(8-6-25)20(28)15-3-4-17-16(9-15)10-18(24-17)19(27)23-11-21(22)12-29-13-21/h3-4,9-10,14,24H,5-8,11-13H2,1-2H3,(H,23,27).
What are the key properties of N-[(3-fluorooxetan-3-yl)methyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)-1H-indole-2-carboxamide?
N-[(3-fluorooxetan-3-yl)methyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)-1H-indole-2-carboxamide has a molecular weight of 402.47 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorooxetan-3-yl)methyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 86615807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).